Cc1ccc(C)cc1
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 419.61 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 429.52 | kJ mol-1 |
| Heat Capacity at Constant Pressure |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 98.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.28 | J mol-1 K-1 |
| Entropy |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 116.96 | J mol-1 K-1 |
| Vibrational | 85.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 369.59 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 20.01 | kJ mol-1 |
18 18 0 0 0 0 0 0 0 0999 V2000
0.0139 1.3989 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 0.6951 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 -0.6955 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0139 -1.3992 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1922 -0.6938 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1922 0.6935 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0003 2.8841 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1690 1.2386 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1689 -1.2389 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0003 -2.8845 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1401 -1.2430 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1401 1.2427 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 3.2705 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5265 3.2694 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0114 3.3108 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5180 -3.2681 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5276 -3.2726 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0114 -3.3111 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
7 1 1 0
8 2 1 0
9 3 1 0
10 4 1 0
11 5 1 0
12 6 1 0
13 7 1 0
14 7 1 0
15 7 1 0
16 10 1 0
17 10 1 0
18 10 1 0
M END